Crystallography Open Database

Information card for entry 7250350

Preview

Coordinates	7250350.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H20 Cl6 In N2 O2
Calculated formula	C18 H20 Cl6 In N2 O2
Title of publication	Synthesis, crystal structure, vibrational study, optical characterization, Hirshfeld surface analysis and dielectric studies of a new indium-based hybrid material formulated as [(C<sub>9</sub>H<sub>8</sub>N)<sub>2</sub>(InCl<sub>6</sub>)·2(H<sub>2</sub>O)].
Authors of publication	Khachroum, Hajer; Ben Rhaiem, Abdallah; Abdelbaky, Mohammed S. M.; Dammak, Mohamed; García-Granda, Santiago
Journal of publication	RSC advances
Year of publication	2025
Journal volume	15
Journal issue	17
Pages of publication	13628 - 13642
a	7.4718 ± 0.0003 Å
b	8.1648 ± 0.0005 Å
c	10.7809 ± 0.0005 Å
α	76.573 ± 0.004°
β	80.404 ± 0.004°
γ	66.171 ± 0.005°
Cell volume	583.22 ± 0.06 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.136
Residual factor for significantly intense reflections	0.0751
Weighted residual factors for significantly intense reflections	0.1556
Weighted residual factors for all reflections included in the refinement	0.1822
Goodness-of-fit parameter for all reflections included in the refinement	1.05
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
299460 (current)	2025-04-30	cif/ Adding structures of 7250350 via cif-deposit CGI script.	7250350.cif